LAMMPS (12 Jun 2025 - Development - patch_12Jun2025-584-g3e8807bee0-modified)
  using 1 OpenMP thread(s) per MPI task
units real
boundary p p p

atom_style full
bond_style harmonic
angle_style harmonic
special_bonds lj/coul 0.0 0.0 0.5

pair_style lj/cut/coul/long 12.0 12.0
kspace_style pppm 1.0e-3

read_data data.swm4-ndp
Reading data file ...
  orthogonal box = (-12 -12 -12) to (12 12 12)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  2500 atoms
  scanning bonds ...
  1 = max bonds/atom
  scanning angles ...
  1 = max angles/atom
  orthogonal box = (-12 -12 -12) to (12 12 12)
  1 by 1 by 1 MPI processor grid
  reading bonds ...
  2000 bonds
  reading angles ...
  500 angles
Finding 1-2 1-3 1-4 neighbors ...
  special bond factors lj:    0        0        0.5     
  special bond factors coul:  0        0        0.5     
     4 = max # of 1-2 neighbors
     3 = max # of 1-3 neighbors
     3 = max # of 1-4 neighbors
     4 = max # of special neighbors
  special bonds CPU = 0.000 seconds
  read_data CPU = 0.010 seconds

pair_coeff    1    1      0.210939     3.183950  # ODw ODw
pair_coeff    *   2*      0.000000     0.0

group ATOMS type 1:3
2000 atoms in group ATOMS
group CORES type 1
500 atoms in group CORES
group DRUDES type 4
500 atoms in group DRUDES

variable TK equal 300.0
variable TDK equal 1.0
variable PBAR equal 1.0

neighbor 2.0 bin

timestep 1.0

fix DRUDE all drude C N N D

velocity ATOMS create ${TK} 12345
velocity ATOMS create 300 12345
velocity DRUDES create ${TDK} 12345
velocity DRUDES create 1 12345

delete_bonds ATOMS multi
System init for delete_bonds ...
PPPM initialization ...
  using 12-bit tables for long-range coulomb
  G vector (1/distance) = 0.21745695
  grid = 10 10 10
  stencil order = 5
  estimated absolute RMS force accuracy = 0.19728846
  estimated relative force accuracy = 0.00059412835
  using double precision FFTW3
  3d grid and FFT values/proc = 3375 1000
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
Rebuild special list taking Drude particles into account
Old max number of 1-2 to 1-4 neighbors: 4
New max number of 1-2 to 1-4 neighbors: 4 (+0)
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 14
  ghost atom cutoff = 14
  binsize = 7, bins = 4 4 4
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut/coul/long, perpetual
      attributes: half, newton on
      pair build: half/bin/newton
      stencil: half/bin/3d
      bin: standard
Deleting bonds ...
  2000 total bonds, 500 turned on, 1500 turned off
  500 total angles, 0 turned on, 500 turned off
  0 total dihedrals, 0 turned on, 0 turned off
  0 total impropers, 0 turned on, 0 turned off

comm_modify vel yes
compute TATOM ATOMS temp/com
compute TEMP all temp/drude

fix DTDIR all drude/transform/direct
fix RIGID ATOMS rigid/npt/small molecule temp ${TK} ${TK} 100 iso ${PBAR} ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 ${TK} 100 iso ${PBAR} ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso ${PBAR} ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 ${PBAR} 500
fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 1 500
Fix rigid/npt/small setup ...
  create bodies CPU = 0.000 seconds
  500 rigid bodies with 2000 atoms
  0.83209864 = max distance from body owner to body atom
fix_modify RIGID temp TATOM press thermo_press
WARNING: Temperature for fix modify is not for group all (src/RIGID/fix_rigid_nh_small.cpp:1291)
fix NVT DRUDES nvt temp ${TDK} ${TDK} 100.0
fix NVT DRUDES nvt temp 1 ${TDK} 100.0
fix NVT DRUDES nvt temp 1 1 100.0
fix DTINV all drude/transform/inverse

thermo_style custom step etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
thermo 20

run 2000
PPPM initialization ...
  using 12-bit tables for long-range coulomb
  G vector (1/distance) = 0.21745695
  grid = 10 10 10
  stencil order = 5
  estimated absolute RMS force accuracy = 0.19728846
  estimated relative force accuracy = 0.00059412835
  using double precision FFTW3
  3d grid and FFT values/proc = 3375 1000
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
WARNING: fix drude/transform/direct is not compatible with box changing rigid fixes (src/DRUDE/fix_drude_transform.cpp:63)
WARNING: fix drude/transform/inverse is not compatible with box changing rigid fixes (src/DRUDE/fix_drude_transform.cpp:63)
Per MPI rank memory allocation (min/avg/max) = 38.01 | 38.01 | 38.01 Mbytes
   Step         TotEng         KinEng         PotEng         E_bond        E_angle         E_vdwl         E_coul         E_long         Press          Volume          Temp        c_TEMP[1]      c_TEMP[2]   
         0   4568.0413      903.41148      3664.6298      623.46454      0              2890.2449      157955.66     -157804.74      244591.07      13824          202.18534      295.64644      14.858785    
        20   3742.6817      5338.7578     -1596.0761      567.33099      0              662.23642      155098.37     -157924.02      31679.887      13979.573      1194.8249      1690.2153      201.65449    
        40   2752.8736      4407.8573     -1654.9837      792.93229      0              870.33228      154593.79     -157912.03      27393.963      14278.558      986.48751      1450.7798      55.92993     
        60   1995.6872      3982.5013     -1986.8141      660.70661      0              750.75978      154536.14     -157934.42      22234.46       14691.401      891.29196      1315.8901      40.313155    
        80   1376.3654      3450.7916     -2074.4262      617.71067      0              606.28391      154626.43     -157924.85      17342.873      15201.355      772.29424      1146.9442      21.449804    
       100   885.36642      3037.5135     -2152.1471      536.23008      0              448.89474      154792.86     -157930.13      13233.554      15783.307      679.80176      1011.649       14.747667    
       120   487.81678      2928.9125     -2441.0957      534.73233      0              332.3939       154623.24     -157931.46      8670.5335      16409.336      655.49662      977.64669      9.8854888    
       140   159.32143      2532.8912     -2373.5697      506.74994      0              248.30091      154801.67     -157930.29      6390.3077      17052.936      566.86624      846.14596      7.1730713    
       160  -100.02617      2409.0912     -2509.1174      491.67558      0              137.5929       154796.06     -157934.45      3849.3861      17698.274      539.15956      805.49016      5.4200451    
       180  -313.73727      2202.4313     -2516.1685      467.34264      0              81.150177      154868.35     -157933.01      2022.1849      18335.187      492.90864      736.6815       4.3771014    
       200  -488.09149      2054.2044     -2542.2959      456.60083      0              82.010987      154849.81     -157930.71      1263.1655      18957.521      459.73517      687.37271      3.5406201    
       220  -639.86744      1978.4868     -2618.3542      483.81163      0              68.387103      154761.4      -157931.95      208.12923      19561.091      442.7894       662.33787      2.8068852    
       240  -768.79162      1838.2116     -2607.0032      465.55324      0              44.707139      154817.21     -157934.48     -412.03975      20141.832      411.39553      615.49309      2.3776094    
       260  -875.88562      1720.8488     -2596.7344      471.26198      0              47.606889      154818.98     -157934.58     -800.12198      20696.65       385.12949      576.35412      1.9099754    
       280  -970.98409      1687.5861     -2658.5701      484.33551      0              61.668154      154728.15     -157932.73     -1225.3588      21224.102      377.68522      565.29416      1.7119751    
       300  -1060.4842      1571.3585     -2631.8427      495.64622      0              121.61312      154680.95     -157930.06     -986.80899      21723.118      351.67326      526.39995      1.5165398    
       320  -1136.2559      1554.3502     -2690.6061      489.1605       0              110.36027      154642.66     -157932.79     -1551.4796      22195.536      347.86677      520.78427      1.3360466    
       340  -1205.2656      1530.6556     -2735.9212      517.46132      0              104.86872      154574.3      -157932.55     -1699.5175      22638.969      342.56386      512.89554      1.2153772    
       360  -1272.0266      1499.533      -2771.5596      525.22852      0              121.9524       154513.57     -157932.31     -1842.8998      23052.117      335.59857      502.48431      1.1558943    
       380  -1335.5391      1433.2716     -2768.8107      536.12145      0              166.86001      154463.3      -157935.09     -1654.1646      23435.525      320.76913      480.29914      1.0675917    
       400  -1395.6878      1420.1109     -2815.7987      547.66911      0              193.02117      154374.99     -157931.48     -1764.1235      23791.31       317.82374      475.91522      1.0051324    
       420  -1450.9728      1381.835      -2832.8078      550.8855       0              194.13343      154350.73     -157928.56     -1713.5807      24119.751      309.25752      463.11823      0.91757369   
       440  -1505.9245      1329.2355     -2835.16        555.07179      0              190.35245      154354.18     -157934.77     -1827.1244      24421.006      297.48563      445.52053      0.82085515   
       460  -1552.7415      1300.0262     -2852.7677      571.57789      0              216.98965      154292.31     -157933.65     -1743.1486      24694.639      290.94854      435.73651      0.79071629   
       480  -1599.3406      1315.6164     -2914.957       593.6811       0              248.24989      154179.9      -157936.79     -1815.4581      24942.319      294.43765      440.9437       0.83668166   
       500  -1645.8099      1287.3886     -2933.1985      623.48365      0              265.93871      154111.96     -157934.58     -1803.0865      25164.26       288.12022      431.50146      0.78150583   
       520  -1693.1704      1265.6037     -2958.7741      639.96872      0              311.39175      154023.13     -157933.26     -1561.5041      25360.374      283.24471      424.2016       0.7644528    
       540  -1738.9787      1214.9252     -2953.9038      665.70883      0              363.72136      153948.87     -157932.21     -1259.5924      25533.528      271.90274      407.17629      0.81185701   
       560  -1778.9349      1232.7668     -3011.7017      681.2626       0              369.86479      153870.82     -157933.65     -1533.5111      25686.761      275.89574      413.17421      0.78700537   
       580  -1822.1797      1188.734      -3010.9137      667.83052      0              372.17655      153881.55     -157932.47     -1435.2528      25818.333      266.04111      398.42789      0.73545831   
       600  -1862.1742      1211.1035     -3073.2777      690.56093      0              397.02618      153774.76     -157935.63     -1564.754       25929.53       271.04745      405.8875       0.82526074   
       620  -1901.0024      1191.473      -3092.4754      692.40848      0              405.6213       153743.4      -157933.91     -1369.2272      26019.486      266.65411      399.30117      0.82668412   
       640  -1940.6442      1173.462      -3114.1062      708.13647      0              440.78573      153670.92     -157933.95     -1295.0246      26089.85       262.62321      393.26663      0.81110805   
       660  -1980.3001      1165.1115     -3145.4115      724.1296       0              459.97894      153603.37     -157932.89     -1212.8212      26141.912      260.75434      390.48826      0.76498164   
       680  -2017.7015      1161.0695     -3178.771       742.10908      0              456.8966       153557.03     -157934.81     -1352.7085      26176.03       259.84974      389.11002      0.80946043   
       700  -2057.1346      1139.9739     -3197.1084      754.41056      0              496.79445      153481.64     -157929.96     -1323.7181      26191.289      255.1285       382.0271       0.82103297   
       720  -2091.3144      1142.159      -3233.4734      773.78299      0              491.32621      153434.66     -157933.24     -1223.1424      26188.802      255.61753      382.75981      0.82173548   
       740  -2126.5148      1136.0906     -3262.6054      769.60449      0              475.77227      153421.68     -157929.66     -1566.9392      26169.307      254.25941      380.74192      0.78587861   
       760  -2163.7863      1124.0501     -3287.8364      774.53278      0              477.79636      153392.74     -157932.91     -1403.8414      26130.484      251.56472      376.70586      0.77929866   
       780  -2197.9303      1094.6346     -3292.5648      769.84628      0              480.81398      153391.44     -157934.66     -1705.37        26073.093      244.98146      366.80627      0.84187664   
       800  -2231.2252      1112.0851     -3343.3103      788.98529      0              520.5025       153277.98     -157930.78     -1354.6323      25995.299      248.88692      372.648        0.86697441   
       820  -2264.2558      1098.3804     -3362.6362      815.07049      0              518.39419      153238.05     -157934.15     -1462.7015      25900.655      245.8198       368.03105      0.90564691   
       840  -2298.1576      1087.8619     -3386.0195      836.19111      0              528.14551      153180.23     -157930.59     -1610.6958      25788.259      243.46572      364.4746       0.9610147    
       860  -2333.8524      1144.8514     -3478.7038      860.66135      0              563.60119      153030.99     -157933.96     -1689.1113      25656.812      256.22008      383.53373      1.080357     
       880  -2368.1489      1103.0111     -3471.1601      857.08614      0              588.60329      153018.96     -157935.81     -1145.7457      25507.51       246.85616      369.51289      1.0489897    
       900  -2404.5592      1113.6718     -3518.231       901.37435      0              639.53745      152873.73     -157932.87     -1074.0056      25345.397      249.24203      373.03872      1.150154     
       920  -2438.1672      1106.0971     -3544.2643      936.71305      0              677.20294      152777.86     -157936.04     -889.0488       25172.966      247.5468       370.50185      1.1416055    
       940  -2472.2315      1109.1657     -3581.3972      965.0129       0              748.15967      152638.49     -157933.06     -365.40065      24993.094      248.23357      371.47293      1.2583776    
       960  -2505.0401      1099.9408     -3604.9809      965.07287      0              746.65821      152619.72     -157936.43     -324.53103      24810.913      246.16901      368.38706      1.2405909    
       980  -2539.6632      1099.747      -3639.4103      994.96271      0              753.65752      152548.16     -157936.19     -535.87602      24627.517      246.12564      368.37091      1.1428558    
      1000  -2573.7155      1111.4598     -3685.1753      993.84434      0              759.65572      152497.77     -157936.44     -622.64188      24441.5        248.74699      372.24211      1.2592587    
      1020  -2604.5134      1109.7248     -3714.2382      1022.3051      0              766.09525      152432.44     -157935.08     -587.62229      24252.716      248.35869      371.65343      1.272493     
      1040  -2639.072       1062.1365     -3701.2084      1026.4044      0              792.65905      152415.75     -157936.02     -301.69554      24061.112      237.70832      355.71173      1.2260902    
      1060  -2668.9679      1078.4532     -3747.4212      1022.1216      0              754.59954      152412.83     -157936.97     -693.82223      23868.699      241.36005      361.15554      1.2863439    
      1080  -2699.6759      1050.3958     -3750.0717      1022.4855      0              749.29669      152416.15     -157938.01     -629.90405      23672.947      235.08074      351.8176       1.1368617    
      1100  -2732.2557      1080.9221     -3813.1779      1038.6294      0              731.73566      152355.15     -157938.69     -1256.9779      23472.924      241.91259      362.04205      1.1698523    
      1120  -2765.0951      1073.436      -3838.5311      1046.8583      0              712.47344      152339.98     -157937.84     -1305.5698      23264.852      240.23719      359.51964      1.1918008    
      1140  -2797.002       1051.4153     -3848.4173      1091.9397      0              757.19128      152238.71     -157936.26     -892.24587      23048.319      235.3089       352.1462       1.1636786    
      1160  -2826.4923      1038.7809     -3865.2733      1120.4034      0              814.28261      152136.08     -157936.04     -659.11252      22827.798      232.48131      347.94264      1.0936877    
      1180  -2853.0198      1093.5751     -3946.5949      1111.332       0              792.66415      152085.89     -157936.48     -908.44         22606.566      244.74436      366.28613      1.1713465    
      1200  -2882.3         1031.562      -3913.862       1092.4277      0              791.69165      152137.45     -157935.44     -705.31944      22384.096      230.86569      345.50931      1.1167215    
      1220  -2911.0981      1057.0068     -3968.1049      1122.8594      0              802.69862      152044.66     -157938.32     -808.05137      22160.919      236.56028      354.09901      1.0097183    
      1240  -2938.6469      1078.1763     -4016.8232      1125.3187      0              795.92897      152001.21     -157939.28     -1000.0487      21936.635      241.29806      361.19091      1.0297564    
      1260  -2969.8071      1040.4611     -4010.2682      1137.0644      0              841.4628       151948.59     -157937.38     -460.35368      21711.029      232.85733      348.53688      1.0325308    
      1280  -2999.0994      1072.0456     -4071.145       1195.7799      0              876.54444      151795.08     -157938.55     -625.47097      21486.698      239.926        359.13538      1.0273969    
      1300  -3027.4865      1061.1654     -4088.6519      1227.5531      0              956.49044      151663.3      -157936         101.18312      21264.973      237.49099      355.5141       0.96979084   
      1320  -3052.8339      1065.7904     -4118.6243      1276.3266      0              1001.6717      151541.48     -157938.1       341.96874      21051.296      238.52608      357.04112      1.0189448    
      1340  -3077.5637      1078.1925     -4155.7561      1273.6171      0              972.21383      151536.57     -157938.15      163.5952       20847.427      241.30169      361.21262      0.99721099   
      1360  -3105.3568      1059.2225     -4164.5793      1288.0806      0              1019.3579      151467.37     -157939.39      530.87779      20652.314      237.05617      354.87503      0.94435265   
      1380  -3130.3249      1057.0133     -4187.3381      1295.8673      0              987.56705      151469.88     -157940.65      199.68819      20466.747      236.56174      354.13666      0.93876501   
      1400  -3158.4245      1044.5838     -4203.0084      1262.2876      0              956.95194      151515.82     -157938.07      257.71136      20288.768      233.78         349.98765      0.89716345   
      1420  -3183.0379      1010.4104     -4193.4483      1247.9597      0              903.80138      151594.18     -157939.39     -414.81959      20117.189      226.13192      338.5293       0.88488405   
      1440  -3208.935       991.71879     -4200.6538      1260.7325      0              893.16395      151583.03     -157937.58     -571.71227      19947.612      221.9487       332.28366      0.83487935   
      1460  -3230.5892      964.39374     -4194.983       1278.1128      0              968.69501      151494.42     -157936.22      167.72893      19778.752      215.8333       323.10343      0.86137068   
      1480  -3245.8729      983.01472     -4228.8876      1317.1041      0              1017.9339      151376.13     -157940.06      372.25298      19615.311      220.00071      329.34759      0.86695797   
      1500  -3260.874       1050.2309     -4311.1049      1315.7653      0              990.29258      151322        -157939.16      126.42756      19459.242      235.04384      351.85686      0.94770457   
      1520  -3281.9143      1013.0962     -4295.0105      1320.1671      0              1000.4446      151324.25     -157939.87      229.30147      19308.754      226.73302      339.417        0.91159402   
      1540  -3305.2298      1015.7579     -4320.9877      1318.3203      0              982.56806      151319.88     -157941.76      35.730588      19163.004      227.3287       340.31798      0.89550625   
      1560  -3327.5293      970.4127      -4297.942       1321.0159      0              1006.8649      151315.06     -157940.88      364.52587      19021.212      217.18036      325.09029      0.9261294    
      1580  -3346.7398      1014.0251     -4360.7649      1341.0616      0              994.21254      151247.89     -157943.93     -121.19809      18885.005      226.94089      339.7256       0.91759684   
      1600  -3366.2253      979.90558     -4346.1309      1325.0877      0              1011.6367      151257.31     -157940.16      175.08516      18752.333      219.30488      328.29103      0.89397084   
      1620  -3383.5176      951.23011     -4334.7477      1350.0922      0              1053.3117      151202.73     -157940.88      974.85039      18624.067      212.88725      318.67844      0.87909846   
      1640  -3396.8157      961.77227     -4358.5879      1351.5506      0              1032.4944      151199.81     -157942.44      629.91692      18504.21       215.24661      322.23679      0.83575558   
      1660  -3412.8818      998.75114     -4411.6329      1345.184       0              991.2012       151195.11     -157943.13     -85.692339      18390.744      223.52255      334.60835      0.90392098   
      1680  -3429.6543      972.07979     -4401.7341      1348.2294      0              966.48988      151226.27     -157942.72     -557.79186      18279.412      217.55345      325.66427      0.89671494   
      1700  -3447.189       969.42808     -4416.617       1338.0772      0              949.51201      151238.89     -157943.1      -262.17662      18167.653      216.95999      324.77753      0.89100071   
      1720  -3463.2969      965.20629     -4428.5031      1350.0872      0              978.41926      151184.51     -157941.52     -238.23851      18055.824      216.01515      323.32802      0.95737084   
      1740  -3479.8311      944.62797     -4424.459       1345.0213      0              972.69521      151200.5      -157942.68      149.02224      17944.806      211.40968      316.45089      0.90443999   
      1760  -3493.6125      995.01733     -4488.6299      1365.4758      0              978.37232      151112.25     -157944.72     -240.73144      17836.31       222.68692      333.34546      0.92446085   
      1780  -3509.1328      979.62511     -4488.7579      1377.2129      0              984.81848      151094.18     -157944.97     -36.174667      17728.785      219.24211      328.17245      0.94294324   
      1800  -3526.6927      985.84385     -4512.5366      1385.6397      0              1022.4713      151023.82     -157944.46      370.32207      17622.769      220.63388      330.23411      0.9921475    
      1820  -3544.4357      983.38949     -4527.8252      1418.0664      0              1031.8377      150966.7      -157944.43      24.207289      17520.314      220.08459      329.40763      0.99832312   
      1840  -3560.976       963.80134     -4524.7773      1440.6405      0              1052.8713      150927.36     -157945.65      380.11265      17420.583      215.70072      322.86895      0.9328529    
      1860  -3575.7216      963.93719     -4539.6587      1475.566       0              1110.0582      150819.01     -157944.3       613.02115      17324.58       215.73112      322.87181      1.018279     
      1880  -3589.8887      986.84507     -4576.7338      1498.2415      0              1135.384       150734.64     -157945         1067.558       17233.94       220.85795      330.5572       1.0177414    
      1900  -3605.3068      950.418       -4555.7248      1469.6952      0              1107.108       150811.86     -157944.39      968.16791      17151.245      212.7055       318.32889      1.0333098    
      1920  -3619.0761      945.11899     -4564.1951      1418.2662      0              1038.0207      150923.64     -157944.12      164.21406      17075.205      211.51957      316.57765      0.9803829    
      1940  -3631.0239      950.0633      -4581.0872      1397.1705      0              988.94854      150976.66     -157943.87     -188.5833       17001.396      212.62612      318.21174      1.0296176    
      1960  -3646.2635      917.92813     -4564.1916      1434.5922      0              997.38905      150948.78     -157944.95     -471.08287      16927.223      205.4342       307.44988      0.99197478   
      1980  -3658.3601      939.06088     -4597.421       1432.2936      0              986.91618      150928.28     -157944.91     -462.50198      16851.402      210.16375      314.51312      1.0446967    
      2000  -3670.434       951.97705     -4622.4111      1441.2086      0              1000.9599      150880.2      -157944.78     -775.94171      16773.893      213.05442      318.8212       1.0947423    
Loop time of 33.0673 on 1 procs for 2000 steps with 2500 atoms

Performance: 5.226 ns/day, 4.593 hours/ns, 60.483 timesteps/s, 151.207 katom-step/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.531     | 26.531     | 26.531     |   0.0 | 80.23
Bond    | 0.0097423  | 0.0097423  | 0.0097423  |   0.0 |  0.03
Kspace  | 0.91926    | 0.91926    | 0.91926    |   0.0 |  2.78
Neigh   | 2.9069     | 2.9069     | 2.9069     |   0.0 |  8.79
Comm    | 0.17999    | 0.17999    | 0.17999    |   0.0 |  0.54
Output  | 0.0039149  | 0.0039149  | 0.0039149  |   0.0 |  0.01
Modify  | 2.4931     | 2.4931     | 2.4931     |   0.0 |  7.54
Other   |            | 0.0231     |            |       |  0.07

Nlocal:           2500 ave        2500 max        2500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:          20453 ave       20453 max       20453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2.14259e+06 ave 2.14259e+06 max 2.14259e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2142591
Ave neighs/atom = 857.0364
Ave special neighs/atom = 4
Neighbor list builds = 124
Dangerous builds = 0

Total wall time: 0:00:33
